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2-(2-NAPHTHYLTHIO)ACETONITRILE

2-(2-NAPHTHYLTHIO)ACETONITRILE structure

CAS No:
5324-69-6
Formula:
C12H9NS
Chemical Name:
2-(2-NAPHTHYLTHIO)ACETONITRILE
Synonyms:
2-Naphthylthioacetonitrile;2-(2-naphthylthio)acetonitrile;Acetonitrile,2-(2-naphthalenylthio)-;2-naphthalen-2-ylsulfanylacetonitrile;NSC2719;Acetonitrile, 2-(2-naphthalenylthio)-;Maybridge1_004490;(2-Naphthylsulfanyl)acetonitrile;2-(2-naphthylthio)ethanenitrile;SCHEMBL10400052

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2-(2-NAPHTHYLTHIO)ACETONITRILE Basic Attributes

Molecular Weight：

199.27200

Exact Mass：

199.04600

NSC Number：

2719

DSSTox ID：

DTXSID30277521

HScode：

2930909090

Characteristics

PSA：

49.09000

XLogP3：

3.45548

Density：

1.2g/cm3

Melting Point：

83ºC

Boiling Point：

374.8ºC at 760mmHg

Flash Point：

180.5ºC

Refractive Index：

1.669

Safety Information

hazard class code：

R20/21/22

safety instructions：

S36/37

Marks：

Xn:Harmful;

Computed Properties

Molecular Weight:199.27
XLogP3:3.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:199.04557046
Monoisotopic Mass:199.04557046
Topological Polar Surface Area:49.1
Heavy Atom Count:14
Complexity:230
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(2-NAPHTHYLTHIO)ACETONITRILE

Basic Attributes
Characteristics
Safety Information
Computed Properties

2-(2-NAPHTHYLTHIO)ACETONITRILE

SDS

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